[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-pentylbenzoate

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-pentylbenzoate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN2O2/c1-2-3-5-10-20-15-17-22(18-16-20)27(31)32-26-19-24(21-11-6-4-7-12-21)29-30(26)25-14-9-8-13-23(25)28/h4,6-9,11-19H,2-3,5,10H2,1H3